SCHEMBL497837

SCHEMBL497837

[CH]Cc1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
AGXT P21549 2/20 0.54
LTA4H P09960 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
ALDH1A1 P00352 2/20 0.52
ALOX15 P16050 2/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SLC6A4 P31645 1/20 0.50
CALM1 P0DP23 1/20 0.48
KDM4E B2RXH2 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27884 0.78 LTA4H (0.81) IDO1CA12CA1CA2CA7
SCHEMBL834551 0.78 TAAR1 (0.73) IDO1CA12CA1CA2CA7
SCHEMBL1425001 0.78 LTA4H (0.81) IDO1CA12CA1CA2CA7
1,4-Dimethoxybenzene SCHEMBL21802643 0.76 CA1 (1.00) IDO1CA12CA1CA2CA7
1,4-Dimethoxybenzene SCHEMBL8489 0.76 CA1 (1.00) IDO1CA12CA1CA2CA7
Ammonia Solution, Strong SCHEMBL20919857 0.76 LTA4H (0.77) IDO1CA12CA1CA2CA7
SCHEMBL5187124 0.76 CA12 (0.61) IDO1CA12CA1CA2CA7
SCHEMBL30878 0.76 CA12 (0.61) IDO1CA12CA1CA2CA7
SCHEMBL8077148 0.75 IDO1 (0.61) IDO1CA12CA1CA2CA7
SCHEMBL15731991 0.75 IDO1 (0.61) IDO1CA12CA1CA2CA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 398 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES BEAVERS MARY PAT 2009-04-23 US claimed
US-7129220-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V (BE) 2006-10-31 US claimed
US-20050037981-A1 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-17 US claimed
EP-1480943-A2 SYNTHESIS OF 3,5-DIHYDROXY-7-PYRROL-1-YL HEPTANOIC ACIDS Teva Pharmaceutical Industries Limited (IL) 2004-12-01 EP claimed
WO-2004046105-A2 SYNTHESIS OF 3,5-DIHYDROXY-7-PYRROL-1-YL HEPTANOIC ACIDS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-06-03 WO claimed
US-20190345190-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-11-14 US disclosed
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-10-17 US disclosed
WO-2018167270-A1 ANTICANCER COMPOUNDS PHARMA MAR, S.A. (ES) 2018-09-20 WO disclosed
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-07-27 US disclosed
US-20170088576-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-03-30 US disclosed
US-9579332-B2 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2017-02-28 US disclosed
EP-0789695-A2 THIEPANE COMPOUNDS INHIBITING AND DETECTING HIV PROTEASE GILEAD SCIENCES, INC. (US) 1997-08-20 EP disclosed
US-5659023-A HETEROCYCLIC FURANOSYL OR PYRANOSYL PHOSPHONATE; IMMUNOGENS, OLIGONUCLEOTIDES, ANTIINFECTIVES, ANTIINFLAMMATORY AGENTS GILEAD SCIENCES, INC. (US) 1997-08-19 US disclosed
CN-1147813-A Novel compounds, their synthesis and therapeutic use GILEAD SCIENCES INC (US) 1997-04-16 CN disclosed
EP-0759917-A1 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES GILEAD SCIENCES, INC. (US) 1997-03-05 EP disclosed
WO-1996026933-A9 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES 1996-11-28 WO disclosed
WO-1996026933-A1 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES GILEAD SCIENCES, INC. (US) 1996-09-06 WO disclosed
WO-1996023801-A2 NOVEL COMPOUNDS AND METHODS FOR MAKING AND USING SAME GILEAD SCIENCES, INC. (US) 1996-08-08 WO disclosed
WO-1996014314-A2 THIEPANE COMPOUNDS INHIBITING AND DETECTING HIV PROTEASE GILEAD SCIENCES, INC. (US) 1996-05-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170088576-A1 ANTIVIRAL COMPOUNDS EIF2AK2, MAVS, ITPA IDO1 1654/4885CA12 3641/4885CA1 3835/4885
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA IDO1 2579/4885CA12 4458/4885CA1 4095/4885
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES GPR119, PYGL, IAPP IDO1 11/4885CA12 3948/4885CA1 3742/4885
US-20190345190-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA IDO1 2579/4885CA12 4458/4885CA1 4095/4885
US-20050037981-A1 Substituted indole-O-glucosides GPR119, PYGL, IAPP IDO1 11/4885CA12 3948/4885CA1 3742/4885
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds PIK3CA, TYMP, ITPA IDO1 2579/4885CA12 4458/4885CA1 4095/4885
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA IDO1 2579/4885CA12 4458/4885CA1 4095/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.